N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide

C12H23N3O3 — CID 107940599

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C12H23N3O3/c1-2-7-18-9-12(16)15(8-11(13)14-17)10-5-3-4-6-10/h10,17H,2-9H2,1H3,(H2,13,14)
InChIKeyCNPGNTCTLNZOJH-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.93
Rot. Bonds7

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide (PubChem CID 107940599) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
PubChem CID107940599
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C12H23N3O3/c1-2-7-18-9-12(16)15(8-11(13)14-17)10-5-3-4-6-10/h10,17H,2-9H2,1H3,(H2,13,14)
InChIKeyCNPGNTCTLNZOJH-UHFFFAOYSA-N
XLogP0.93
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211498
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211636
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211639
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboximidamide
CID 113788744
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
CID 55208859
N-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2-ethoxyacetamide
CID 55249621
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide
CID 61278177
N-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2-methoxyacetamide
CID 63625575
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-methoxyacetamide
CID 76175147
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-ethoxyacetamide
CID 76218758
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-methoxyacetamide
CID 76897410
N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide
CID 76911575

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide (CID 107940599) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide is CCCOCC(=O)N(CC(N)=NO)C1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide?
The InChIKey is CNPGNTCTLNZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-7-18-9-12(16)15(8-11(13)14-17)10-5-3-4-6-10/h10,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide has a molecular weight of 257.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide is sourced from PubChem (CID 107940599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).